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GPCR

NameSomatostatin receptor type 4
SpeciesRattus norvegicus (Rat)
GeneSstr4
SynonymSRIF2B
SS-4-R
SS4-R
SS4R
SST4 receptor
DiseaseN/A for non-human GPCRs
Length384
Amino acid sequenceMNTPATLPLGGEDTTWTPGINASWAPDEEEDAVRSDGTGTAGMVTIQCIYALVCLVGLVGNALVIFVILRYAKMKTATNIYLLNLAVADELFMLSVPFVASAAALRHWPFGAVLCRAVLSVDGLNMFTSVFCLTVLSVDRYVAVVHPLRAATYRRPSVAKLINLGVWLASLLVTLPIAVFADTRPARGGEAVACNLHWPHPAWSAVFVIYTFLLGFLLPVLAIGLCYLLIVGKMRAVALRAGWQQRRRSEKKITRLVLMVVTVFVLCWMPFYVVQLLNLFVTSLDATVNHVSLILSYANSCANPILYGFLSDNFRRSFQRVLCLRCCLLETTGGAEEEPLDYYATALKSRGGPGCICPPLPCQQEPMQAEPACKRVPFTKTTTF
UniProtP30937
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLN/A
IUPHAR358
DrugBankN/A

Ligand

NameBim-23003
Molecular formulaC71H95ClN16O17S2
IUPAC name(4R,7S,10S,13S,16S,19S,22R,25S,28S,31S,34S,37R)-37-amino-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-13,25-dibenzyl-28-[(4-chlorophenyl)methyl]-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carboxylic acid
Molecular weight1544.21
Hydrogen bond acceptor22
Hydrogen bond donor20
XlogP-1.6
SynonymsBDBM82469
L-Cys(1)-L-Lys-L-Asn-4-Chloro-L-Phe-L-Phe-D-Trp-L-Lys-L-Thr-L-Phe-L-Thr-L-Ser-L-Cys(1)-OH
Inchi KeyYQLNLYWSBOYGSN-CSFSASDCSA-N
Inchi IDInChI=1S/C71H95ClN16O17S2/c1-38(90)58-69(102)84-52(30-41-17-7-4-8-18-41)67(100)88-59(39(2)91)70(103)85-55(35-89)68(101)86-56(71(104)105)37-107-106-36-46(75)60(93)78-48(21-11-13-27-73)61(94)83-54(33-57(76)92)66(99)81-51(31-42-23-25-44(72)26-24-42)63(96)80-50(29-40-15-5-3-6-16-40)64(97)82-53(32-43-34-77-47-20-10-9-19-45(43)47)65(98)79-49(62(95)87-58)22-12-14-28-74/h3-10,15-20,23-26,34,38-39,46,48-56,58-59,77,89-91H,11-14,21-22,27-33,35-37,73-75H2,1-2H3,(H2,76,92)(H,78,93)(H,79,98)(H,80,96)(H,81,99)(H,82,97)(H,83,94)(H,84,102)(H,85,103)(H,86,101)(H,87,95)(H,88,100)(H,104,105)/t38-,39-,46+,48+,49+,50+,51+,52+,53-,54+,55+,56+,58+,59+/m1/s1
PubChem CID16143489
ChEMBLN/A
IUPHARN/A
BindingDB82469
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki1.9 nMPMID8102785BindingDB

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